OSADHI - Online Structural and Analytics based Database for Herbs of India

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Chemoinformaics analysis of Foetisulfide D


Physiochemical Properties
Molecular Weight 238.468 nRot 7
Heavy Atom Molecular Weight 224.356 nRig 2
Exact Molecular Weight 237.998 nRing 0
Solubility: LogS -4.57 nHRing 0
Solubility: LogP 3.099 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 26 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 12 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 8 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 0 No. of Arom Bond 0
nHA 4 APOL 34.2951
nHD 0 BPOL 21.4249
Medicinal Chemistry Properties
QED 0.483
Synth 4.609
Natural Product Likeliness 1.351
NR-PPAR-gamma 0.693
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.009
Pgp-sub 0.002
HIA 0.018
CACO-2 -4.682
Distribution
MDCK 0.0000173
BBB 0.067
PPB 0.975563
VDSS 1.774
Metabolism
FU 0.0157759
CYP1A2-inh 0.99
CYP1A2-sub 0.764
CYP2c19-inh 0.943
CYP2c19-sub 0.713
CYP2c9-inh 0.724
CYP2c9-sub 0.804
CYP2d6-inh 0.911
CYP2d6-sub 0.907
CYP3a4-inh 0.692
CYP3a4-sub 0.297
Excretion
CL 10.594
T12 0.693
Toxicity
hERG 0.003
Ames 0.013
ROA 0.141
SkinSen 0.967
Carcinogencity 0.2
EI 0.994
Respiratory 0.773
NR-Aromatase 0.669
Antiviral Prediction
Antiviral No
Prediction 0.936152
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